1-ethenylpiperazine-2-carbaldehyde

C7H12N2O — CID 174633082

IUPAC1-ethenylpiperazine-2-carbaldehyde
SMILESC=CN1CCNCC1C=O
InChIInChI=1S/C7H12N2O/c1-2-9-4-3-8-5-7(9)6-10/h2,6-8H,1,3-5H2
InChIKeyMSPCPCMPGMDCPI-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.40
Rot. Bonds2

About 1-ethenylpiperazine-2-carbaldehyde

1-ethenylpiperazine-2-carbaldehyde (PubChem CID 174633082) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-ethenylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name1-ethenylpiperazine-2-carbaldehyde
PubChem CID174633082
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-ethenylpiperazine-2-carbaldehyde
SMILESC=CN1CCNCC1C=O
InChIInChI=1S/C7H12N2O/c1-2-9-4-3-8-5-7(9)6-10/h2,6-8H,1,3-5H2
InChIKeyMSPCPCMPGMDCPI-UHFFFAOYSA-N
XLogP-0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methylpiperazine-2-carbaldehyde;hydrochloride
CID 172770261
2-cyclopropylpiperazine-1-carbaldehyde
CID 87187769
2-(methylaminomethyl)piperazine-1-carbaldehyde
CID 144913960
1-(5-fluoropyrimidin-2-yl)piperazine-2-carbaldehyde
CID 22107040
2-propanoylpiperazine-1-carbaldehyde
CID 22614385
2-butan-2-ylpiperazine-1-carbaldehyde
CID 91801359
2-acetylpiperazine-1-carbaldehyde
CID 22614357
1-(3-chlorophenyl)piperazine-2-carbaldehyde
CID 174390432
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-2-carbaldehyde
CID 170281892
1-[(1-aminoisoquinolin-6-yl)methyl]piperazine-2-carbaldehyde
CID 174417678
2-morpholin-4-ylpiperazine-1-carbaldehyde
CID 91666126
1-methyl-2-prop-2-enylpiperazine
CID 22918318

Frequently Asked Questions

What is the IUPAC name of 1-ethenylpiperazine-2-carbaldehyde?
The IUPAC name of 1-ethenylpiperazine-2-carbaldehyde (CID 174633082) is 1-ethenylpiperazine-2-carbaldehyde.
What is the SMILES notation for 1-ethenylpiperazine-2-carbaldehyde?
The canonical SMILES for 1-ethenylpiperazine-2-carbaldehyde is C=CN1CCNCC1C=O.
What is the InChIKey of 1-ethenylpiperazine-2-carbaldehyde?
The InChIKey is MSPCPCMPGMDCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-9-4-3-8-5-7(9)6-10/h2,6-8H,1,3-5H2.
What are the key properties of 1-ethenylpiperazine-2-carbaldehyde?
1-ethenylpiperazine-2-carbaldehyde has a molecular weight of 140.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpiperazine-2-carbaldehyde is sourced from PubChem (CID 174633082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).